SCHEMBL6429128

SCHEMBL6429128

Nc1ccc(N)c(C(O)Nc2ccc(N(CCO)CCO)cc2)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
MCL1 Q07820 1/20 0.32
BACE1 P56817 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6740807 0.87 KMT2A (0.34) KMT2AMAPTMEN1LMNATP53
SCHEMBL6734728 0.73 KMT2A (0.34) KMT2AMAPTMEN1LMNATP53
SCHEMBL6268444 0.73 ADRA2B (0.37) KMT2AMAPTMEN1GAABACE1
SCHEMBL6572332 0.71 TDP1 (0.36) KMT2AMAPTMEN1LMNATP53
SCHEMBL8521178 0.71 ALDH1A1 (0.54) KMT2AMAPTMEN1LMNATP53
SCHEMBL28087334 0.71 ALDH1A1 (0.54) KMT2AMAPTMEN1LMNATP53
SCHEMBL33874 0.71 ALDH1A1 (0.54) KMT2AMAPTMEN1LMNATP53
SCHEMBL6429126 0.70 TDP1 (0.39) KMT2AMAPTMEN1LMNATP53
SCHEMBL6572913 0.69 KMT2A (0.38) KMT2AMAPTMEN1LMNATP53
Hydrochloric Acid SCHEMBL7714474 0.69 ALDH1A1 (0.52) KMT2AMAPTMEN1LMNATP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951574-B2 Primary intermediates for oxidative coloration of hair THE PROCTER & GAMBLE COMPANY (US) 2005-10-04 US disclosed
US-6887280-B2 Hair coloring compositions for use in oxidative hair dyeing THE PROCTER & GAMBLE COMPANY (US) 2005-05-03 US disclosed
US-6835213-B2 Such as 3-(4-amino-3-hydroxy-phenyl)-propionitrile; for intense yellow color/improved colorfastness THE PROCTER & GAMBLE COMPANY 2004-12-28 US disclosed
US-20040255403-A1 Primary intermediates for oxidative coloration of hair LIM MU-ILL (US) 2004-12-23 US disclosed
US-6765093-B2 4-(3-AMINO-2-HYDROXYPROPOXY)-M-PHENYLENEDIAMINE COUPLERS; 3-AMINO GROUP IS OPTIONALLY SUBSTITUTED THE PROCTER & GAMBLE COMPANY 2004-07-20 US disclosed
US-6750339-B2 SUCH AS 4-AMINO-2-(2-DIMETHYLAMINO-ETHYL)-PHENOL; USEFUL IN PLACE OF P-AMINOPHENOL THE PROCTER AND GAMBLE COMPANY 2004-06-15 US disclosed
US-20020148052-A1 Primary intermediates for oxidative coloration of hair WELLA OPERATIONS US, LLC 2002-10-17 US disclosed
US-20020144361-A1 Novel couplers for use in oxidative hair dyeing WELLA OPERATIONS US, LLC 2002-10-10 US disclosed
US-20020138919-A1 Novel couplers for use in oxidative hair dyeing WELLA OPERATIONS US, LLC 2002-10-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040255403-A1 Primary intermediates for oxidative coloration of hair COX5A, CYC1, MT-CO1 KMT2A 1922/4885MAPT 3727/4885MEN1 3441/4885
US-20020138919-A1 Novel couplers for use in oxidative hair dyeing CBR1, CBR3, MT-CO1 KMT2A 1962/4885MAPT 3531/4885MEN1 3662/4885
US-20020148052-A1 Primary intermediates for oxidative coloration of hair CYC1, MT-CO1, MT-ND1 KMT2A 3360/4885MAPT 4587/4885MEN1 2579/4885
US-20020144361-A1 Novel couplers for use in oxidative hair dyeing CBR1, CBR3, MT-CO1 KMT2A 3161/4885MAPT 4697/4885MEN1 3832/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.